(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

C14H20N2 — CID 70239123

IUPAC(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)C[C@H](CN1CCCC1)CN2
InChIInChI=1S/C14H20N2/c1-2-6-14-13(5-1)9-12(10-15-14)11-16-7-3-4-8-16/h1-2,5-6,12,15H,3-4,7-11H2/t12-/m0/s1
InChIKeyAMENXHWAGARJMJ-LBPRGKRZSA-N
MW216.33 g/mol
LogP2.37
Rot. Bonds2

About (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 70239123) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID70239123
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)C[C@H](CN1CCCC1)CN2
InChIInChI=1S/C14H20N2/c1-2-6-14-13(5-1)9-12(10-15-14)11-16-7-3-4-8-16/h1-2,5-6,12,15H,3-4,7-11H2/t12-/m0/s1
InChIKeyAMENXHWAGARJMJ-LBPRGKRZSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 70239123) is (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)C[C@H](CN1CCCC1)CN2.
What is the InChIKey of (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is AMENXHWAGARJMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-6-14-13(5-1)9-12(10-15-14)11-16-7-3-4-8-16/h1-2,5-6,12,15H,3-4,7-11H2/t12-/m0/s1.
What are the key properties of (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 216.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 70239123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).